Geometry & MOs

Info

ID:	39
PubChem CID:	2000
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	207.089543
ΔH_f, kcal/mol:	-120.68
Dipole, Da:	6.48
IP(EA), eV:	-9.87(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations